N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide

C20H20ClNO3 — CID 31236171

IUPACN-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C20H20ClNO3/c1-14-17-12-16(21)8-9-18(17)25-19(14)20(23)22(10-11-24-2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLBIPKJMVCDDVQJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.68
Rot. Bonds6

About N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide

N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 31236171) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID31236171
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC NameN-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C20H20ClNO3/c1-14-17-12-16(21)8-9-18(17)25-19(14)20(23)22(10-11-24-2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLBIPKJMVCDDVQJ-UHFFFAOYSA-N
XLogP4.68
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 86943414
N-benzyl-5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135850139
2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271406
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 70763812
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107067
5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55671766
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 26587128
N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-(2-methoxyethyl)benzamide
CID 4052081
5-chloro-N-(furan-2-ylmethyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 18109842
N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 31236222

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 31236171) is N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is COCCN(Cc1ccccc1)C(=O)c1oc2ccc(Cl)cc2c1C.
What is the InChIKey of N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LBIPKJMVCDDVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-14-17-12-16(21)8-9-18(17)25-19(14)20(23)22(10-11-24-2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31236171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).